4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide

C14H19ClN4O — CID 125437179

IUPAC4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cc(Cl)cn1C)c1nccn1C
InChIInChI=1S/C14H19ClN4O/c1-9(2)12(13-16-5-6-18(13)3)17-14(20)11-7-10(15)8-19(11)4/h5-9,12H,1-4H3,(H,17,20)/t12-/m1/s1
InChIKeyNHLJNJQOIBETFV-GFCCVEGCSA-N
MW294.79 g/mol
LogP2.54
Rot. Bonds4

About 4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide

4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide (PubChem CID 125437179) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide
PubChem CID125437179
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cc(Cl)cn1C)c1nccn1C
InChIInChI=1S/C14H19ClN4O/c1-9(2)12(13-16-5-6-18(13)3)17-14(20)11-7-10(15)8-19(11)4/h5-9,12H,1-4H3,(H,17,20)/t12-/m1/s1
InChIKeyNHLJNJQOIBETFV-GFCCVEGCSA-N
XLogP2.54
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
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N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-pyrazole-4-carboxamide
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4-chloro-1-methyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide
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N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide
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N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide (CID 125437179) is 4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide is CC(C)[C@@H](NC(=O)c1cc(Cl)cn1C)c1nccn1C.
What is the InChIKey of 4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide?
The InChIKey is NHLJNJQOIBETFV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-9(2)12(13-16-5-6-18(13)3)17-14(20)11-7-10(15)8-19(11)4/h5-9,12H,1-4H3,(H,17,20)/t12-/m1/s1.
What are the key properties of 4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide?
4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide has a molecular weight of 294.79 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide is sourced from PubChem (CID 125437179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).